N-(4-amino-1-cyclobutyl-3-oxopent-4-en-2-yl)-1-[3-cyclohexyl-3-[1-[[(E)-3-methylhex-3-enyl]amino]ethenylamino]prop-1-en-2-yl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-2-carboxamide;ethene

C36H61N5O3 — CID 143351640

About N-(4-amino-1-cyclobutyl-3-oxopent-4-en-2-yl)-1-[3-cyclohexyl-3-[1-[[(E)-3-methylhex-3-enyl]amino]ethenylamino]prop-1-en-2-yl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-2-carboxamide;ethene

N-(4-amino-1-cyclobutyl-3-oxopent-4-en-2-yl)-1-[3-cyclohexyl-3-[1-[[(E)-3-methylhex-3-enyl]amino]ethenylamino]prop-1-en-2-yl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-2-carboxamide;ethene (PubChem CID 143351640) has the molecular formula C36H61N5O3 and a molecular weight of 611.92 g/mol. Its IUPAC name is N-(4-amino-1-cyclobutyl-3-oxopent-4-en-2-yl)-1-[3-cyclohexyl-3-[1-[[(E)-3-methylhex-3-enyl]amino]ethenylamino]prop-1-en-2-yl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-2-carboxamide;ethene.

Molecular Properties

• Compound Name: N-(4-amino-1-cyclobutyl-3-oxopent-4-en-2-yl)-1-[3-cyclohexyl-3-[1-[[(E)-3-methylhex-3-enyl]amino]ethenylamino]prop-1-en-2-yl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-2-carboxamide;ethene
• PubChem CID: 143351640
• Molecular Formula: C36H61N5O3
• Molecular Weight: 611.92 g/mol
• Exact Mass: 611.48
• IUPAC Name: N-(4-amino-1-cyclobutyl-3-oxopent-4-en-2-yl)-1-[3-cyclohexyl-3-[1-[[(E)-3-methylhex-3-enyl]amino]ethenylamino]prop-1-en-2-yl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-2-carboxamide;ethene
• SMILES: C=C.C=C(NCC/C(C)=C/CC)NC(C(=C)N1CCC([C@H](C)O)C1C(=O)NC(CC1CCC1)C(=O)C(=C)N)C1CCCCC1
• InChI: InChI=1S/C34H57N5O3.C2H4/c1-7-12-22(2)17-19-36-26(6)37-31(28-15-9-8-10-16-28)24(4)39-20-18-29(25(5)40)32(39)34(42)38-30(33(41)23(3)35)21-27-13-11-14-27;1-2/h12,25,27-32,36-37,40H,3-4,6-11,13-21,35H2,1-2,5H3,(H,38,42);1-2H2/b22-12+;/t25-,29?,30?,31?,32?;/m0./s1
• InChIKey: JJJFEEYHVQCKTK-FSRCPLRLSA-N
• XLogP: 5.44
• TPSA: 119.72 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 17
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	611.92
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-cyclobutyl-3-oxopent-4-en-2-yl)-1-[3-cyclohexyl-3-[1-[[(E)-3-methylhex-3-enyl]amino]ethenylamino]prop-1-en-2-yl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-2-carboxamide;ethene?

The IUPAC name of N-(4-amino-1-cyclobutyl-3-oxopent-4-en-2-yl)-1-[3-cyclohexyl-3-[1-[[(E)-3-methylhex-3-enyl]amino]ethenylamino]prop-1-en-2-yl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-2-carboxamide;ethene (CID 143351640) is N-(4-amino-1-cyclobutyl-3-oxopent-4-en-2-yl)-1-[3-cyclohexyl-3-[1-[[(E)-3-methylhex-3-enyl]amino]ethenylamino]prop-1-en-2-yl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-2-carboxamide;ethene.

What is the SMILES notation for N-(4-amino-1-cyclobutyl-3-oxopent-4-en-2-yl)-1-[3-cyclohexyl-3-[1-[[(E)-3-methylhex-3-enyl]amino]ethenylamino]prop-1-en-2-yl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-2-carboxamide;ethene?

The canonical SMILES for N-(4-amino-1-cyclobutyl-3-oxopent-4-en-2-yl)-1-[3-cyclohexyl-3-[1-[[(E)-3-methylhex-3-enyl]amino]ethenylamino]prop-1-en-2-yl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-2-carboxamide;ethene is C=C.C=C(NCC/C(C)=C/CC)NC(C(=C)N1CCC([C@H](C)O)C1C(=O)NC(CC1CCC1)C(=O)C(=C)N)C1CCCCC1.

What is the InChIKey of N-(4-amino-1-cyclobutyl-3-oxopent-4-en-2-yl)-1-[3-cyclohexyl-3-[1-[[(E)-3-methylhex-3-enyl]amino]ethenylamino]prop-1-en-2-yl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-2-carboxamide;ethene?

The InChIKey is JJJFEEYHVQCKTK-FSRCPLRLSA-N. The full InChI is InChI=1S/C34H57N5O3.C2H4/c1-7-12-22(2)17-19-36-26(6)37-31(28-15-9-8-10-16-28)24(4)39-20-18-29(25(5)40)32(39)34(42)38-30(33(41)23(3)35)21-27-13-11-14-27;1-2/h12,25,27-32,36-37,40H,3-4,6-11,13-21,35H2,1-2,5H3,(H,38,42);1-2H2/b22-12+;/t25-,29?,30?,31?,32?;/m0./s1.

What are the key properties of N-(4-amino-1-cyclobutyl-3-oxopent-4-en-2-yl)-1-[3-cyclohexyl-3-[1-[[(E)-3-methylhex-3-enyl]amino]ethenylamino]prop-1-en-2-yl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-2-carboxamide;ethene?

N-(4-amino-1-cyclobutyl-3-oxopent-4-en-2-yl)-1-[3-cyclohexyl-3-[1-[[(E)-3-methylhex-3-enyl]amino]ethenylamino]prop-1-en-2-yl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-2-carboxamide;ethene has a molecular weight of 611.92 g/mol, XLogP of 5.44, 17 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-1-cyclobutyl-3-oxopent-4-en-2-yl)-1-[3-cyclohexyl-3-[1-[[(E)-3-methylhex-3-enyl]amino]ethenylamino]prop-1-en-2-yl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-2-carboxamide;ethene is sourced from PubChem (CID 143351640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).